Tao Sun
Email: tsun AT
Telephone: +86(10)88256366
Address: 19A Yuquan Rd., Beijing, China
Postcode: 100049

Research Interest

Computational Mineral Physics


2008.8   PhD in Physics  Stony Brook University USA

2003.7   M.S. in Physics  Tsinghua University, China

2000.7   B.E. in Materials Science & Engineering  Tsinghua University, China

Professional Appointments

2013.3- at present Faculty member in the UCAS

2011.6-2013.2 Postdoc in the Dept. Chem. Eng. & Mater. Sci, U. Minnesota, USA.

2008.10-2011.2 Postdoc in the Theory@Elettra group, CNR-Democritos, Italy

2003.9-2004.1 Assistant researcher in the Institute of Plasma Physics, CAS, China

Recent Publications

· Z. Zhang, D.-B. Zhang, T. Sun, R.M. Wentzcovitch, phq: A Fortran code to compute phonon quasiparticle properties and dispersions, Comp. Phys. Comm. 243, 110-120, (2019)

· Jia-Wei Xian, Jun Yan, Hai-Feng Liu, Tao Sun, Gong-Mu Zhang, Xing-Yu Gao, Hai-Feng Song, Effect of anharmonicity on the hcp to bcc transition in beryllium at high-pressure and high-temperature conditions, Phys. Rev. B 99, 064102, (2019)

· T. Sun, J. P. Brodholt, Y-G. Li, L. Vocadlo,  Melting properties from ab initio free energy calculations: Iron at the Earth's inner-core boundary, Phys. Rev. B 98, 224301, (2018)

· H. Zhao, X. Sheng, S. Fabris, D. R. Salahub, T. Sun, L. Du, Heterogeneous reactions of SO2 on the hematite(0001) surface, J. Chem. Phys. 149, 194703 (2018)

· Y. Lu, T. Sun, D-B. Zhang, Lattice anharmonicity, phonon dispersion, and thermal conductivity of PbTe studied by the phonon quasiparticle approach, Phys. Rev. B 97, 174304 (2018) 

· T. Sun, J.-W. Xian, H. Zhang, Z.-G. Zhang, Y.-G. Zhang, Two-phase thermodynamic model for computing entropies of liquids reanalyzed, J. Chem. Phys.  147, 194505 (2017)

· D.-B. Zhang, P. B. Allen, T. Sun, and R. M. Wentzcovitch, Thermal conductivity from phonon quasiparticles with subminimal mean free path in the MgSiO3  perovskite, Phys. Rev. B.  96, 100302(R) (2017)

· N. Ghaderi, D.-B. Zhang, H. Zhang, J.-W. Xian, R. M. Wentzcovitch, and T. Sun, Lattice thermal conductivity of MgSiO3  perovskite from rst-principles, Sci. Rep.  7, 5417 (2017)

· Y. Lu, T. Sun, P. Zhang, P. Zhang, D.-B. Zhang and R. M. Wentzcovitch, Premelting hcp to bcc Transition in Beryllium, Phys. Rev. Lett , 118, 145702 (2017)

· T. Sun, X. Yao and S. Fabris,  Effects of Thermal Electronic Excitations on the Diffusion of Oxygen Adatoms on Graphene, J. Phys. Chem. A,  (2016)

· N. Ghaderi, H. Zhang and T. Sun,  Relative stability and contrasting elastic properties of serpentine polymorphs from first-principles calculations, J. Geophys. Res.: Solid Earth, 120, 4831 (2015)

· T. Sun, D. B. Zhang and R. M. Wentzcovtich, Dynamic Stabilization of Cubic CaSiO3 Perovskite at High Temperatures and Pressures from ab initio Molecular Dynamics, Phys. Rev. B, 89, 094109 (2014)

· D. B. Zhang, T. Sun and R. M. Wentzcovtich, Phonon Quasiparticles and Anharmonic Free Energy in Complex Systems, Phys. Rev. Lett., 112, 058501 (2014)